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5-Bromo-3,6-bis(4'-methoxyphenyl)-1,4-benzoquinon-2-yl acetate
SpectraBase Compound ID FtkvYENTqbN
InChI InChI=1S/C22H17BrO6/c1-12(24)29-22-18(14-6-10-16(28-3)11-7-14)20(25)19(23)17(21(22)26)13-4-8-15(27-2)9-5-13/h4-11H,1-3H3
InChIKey MFOAUQZGRIYXSB-UHFFFAOYSA-N
Mol Weight 457.28 g/mol
Molecular Formula C22H17BrO6
Exact Mass 456.020851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPqJ6IzuJUk
Name 5-Bromo-3,6-bis(4'-methoxyphenyl)-1,4-benzoquinon-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrO6
InChI InChI=1S/C22H17BrO6/c1-12(24)29-22-18(14-6-10-16(28-3)11-7-14)20(25)19(23)17(21(22)26)13-4-8-15(27-2)9-5-13/h4-11H,1-3H3
InChIKey MFOAUQZGRIYXSB-UHFFFAOYSA-N
Molecular Weight 457.276 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)c1ccc(cc1)OC)Br)c1ccc(cc1)OC)OC(=O)C
SPLASH splash10-02ti-0005900000-74d0671d8134250edf19
Source of Spectrum B-51-1041-11
Synonyms 4-Bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl acetate Acetic acid[4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]ester Acetic acid[4-bromo-3,6-diketo-2,5-bis(4-methoxyphenyl)cyclohexa-1,4-dien-1-yl]ester [4-bromanyl-2,5-bis(4-methoxyphenyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethanoate [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]acetate Acetic acid [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate [4-bromo-2,5-bis(4-methoxyphenyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl] acetate [4-bromanyl-2,5-bis(4-methoxyphenyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] ethanoate
Wiley ID 745898